N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide

C13H12N2O3S — CID 2692691

IUPACN-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c16-12-6-4-5-11(9-12)10-14-15-19(17,18)13-7-2-1-3-8-13/h1-10,15-16H
InChIKeyJUVQUORYWLFFPT-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.70
Rot. Bonds4

About N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide

N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 2692691) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID2692691
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c16-12-6-4-5-11(9-12)10-14-15-19(17,18)13-7-2-1-3-8-13/h1-10,15-16H
InChIKeyJUVQUORYWLFFPT-UHFFFAOYSA-N
XLogP1.70
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 139074353
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135738480
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
CID 6910126
N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
CID 125114108
N-[(3-nitrophenyl)methylideneamino]-4-phenoxybenzenesulfonamide
CID 3891977
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1342169
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 3660828

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 2692691) is N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide is O=S(=O)(NN=Cc1cccc(O)c1)c1ccccc1.
What is the InChIKey of N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is JUVQUORYWLFFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-12-6-4-5-11(9-12)10-14-15-19(17,18)13-7-2-1-3-8-13/h1-10,15-16H.
What are the key properties of N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide?
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2692691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).